SCHEMBL23744100

SCHEMBL23744100

C[C@@H]1CN(c2ncc3cc(F)ccc3n2)[C@@H](C)CN1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
MAPT P10636 1/20 0.41
HCRTR1 O43613 11/20 0.39
HCRTR2 O43614 11/20 0.39
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PIM1 P11309 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
MCHR1 Q99705 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30345601 1.00 ROCK2 (0.44) ROCK2ROCK1MAPTHCRTR1HCRTR2
SCHEMBL23744104 0.82 HTR3A (0.46) ROCK2ROCK1HCRTR1HCRTR2PDE10A
SCHEMBL30345527 0.82 HTR3A (0.46) ROCK2ROCK1HCRTR1HCRTR2PDE10A
SCHEMBL30345489 0.78 MCHR1 (0.40) ROCK2ROCK1HCRTR1HCRTR2PIM1
SCHEMBL23744102 0.78 MCHR1 (0.40) ROCK2ROCK1HCRTR1HCRTR2PIM1
SCHEMBL23744755 0.77 HCRTR1 (0.48) MAPTHCRTR1HCRTR2PDE2APDE10A
SCHEMBL30345727 0.77 HCRTR1 (0.48) MAPTHCRTR1HCRTR2PDE2APDE10A
SCHEMBL26090018 0.75 HCRTR1 (0.46) MAPTHCRTR1HCRTR2PDE2APDE10A
SCHEMBL23744088 0.73 GABRP (0.45) PIM1SIGMAR1
SCHEMBL23744490 0.73 NPC1 (0.50) MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100410-B1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2026-04-22 EP disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 ROCK2 2599/4885ROCK1 2021/4885MAPT 1187/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.